[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C19H27N3O6 MolecularWeight: 393.43418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C(C)C)C(=O)NC(=O)N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)O[C@H](C(C)C)C(=O)NC(=O)N)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H27N3O6/c1-11(2)14(21-19(26)27-10-13-8-6-5-7-9-13)17(24)28-15(12(3)4)16(23)22-18(20)25/h5-9,11-12,14-15H,10H2,1-4H3,(H,21,26)(H3,20,22,23,25)/t14-,15+/m0/s1